SCHEMBL19220239

SCHEMBL19220239

C=C(C)C(=O)NCCCC[N+](C)(C)CCCCS(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
CBLB Q13191 5/20 0.35
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Water SCHEMBL15393060 0.98 EPHX2 (0.38) EPHX2CBLBKDM4EMAPK1HIF1A
SCHEMBL12172334 0.98 EPHX2 (0.38) EPHX2CBLBKDM4EMAPK1HIF1A
Water SCHEMBL15391624 0.97 EPHX2 (0.40) EPHX2CBLBKDM4EMAPK1HIF1A
Water SCHEMBL15391620 0.97 EPHX2 (0.40) EPHX2CBLBKDM4EMAPK1HIF1A
Water SCHEMBL15392456 0.97 EPHX2 (0.37) EPHX2CBLBKDM4EMAPK1HIF1A
Water SCHEMBL15393135 0.96 EPHX2 (0.39) EPHX2CBLBKDM4EMAPK1HIF1A
SCHEMBL19077758 0.95 EPHX2 (0.35) EPHX2CBLB
Water SCHEMBL15392704 0.95 EPHX2 (0.35) EPHX2CBLBKDM4EMAPK1HIF1A
Water SCHEMBL15392743 0.94 EPHX2 (0.34) EPHX2CBLB
SCHEMBL245098 0.94 EPHX2 (0.35) EPHX2CBLBKDM4EMAPK1HIF1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170226251-A1 MATERIAL NON-ADHESIVE TO BIOLOGICAL SUBSTANCE, CURABLE COMPOSITION, AND ARTIFICIAL ORGAN AND MEDICAL INSTRUMENT USING SAME FUJIFILM CORPORATION (JP) 2017-08-10 US disclosed